• UNII FDA
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Records 53201 to 53220 of 55865
 
PUBCHEM ID
UNII
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Total Surface Area
Relative PSA
TPSA
cLogS
MW
cLogP
H-Acceptors
H-Donors
Ro5 violations
Druglikeness
DrugScore
90478975 7QLI5HGG0I mol2, pdbqt 170,83 0,058538 9,23 -3,604 222,37 3,3704 1 0 0 -6,3227 0,407075912192562
90478977 G2ILO129VG mol2, pdbqt 213,06 0,52408 155,68 1,67 292,243 -6,1434 10 4 0 -7,634 0,173101740554984
90478978 9PB9J9D490 mol2, pdbqt 183,34 0,14579 38,05 -2,228 186,341 2,2668 2 2 0 -22,189 0,465142265910466
90478981 E3A2KCU27S mol2, pdbqt 56,32 1 87,57 1,958 97,9938 -5,0393 4 3 0 -8,3432 0,179236265133173
90478988 28870H68FZ mol2, pdbqt 271,97 0,14406 54,37 -3,975 294,433 5,4139 3 1 1 -24,012 0,291487718165261
90479002 0Y9VQL8GAB mol2, pdbqt 321,34 0,23439 100,9 -4,113 466,519 2,0764 6 2 0 4,17 0,396270935500429
90479008 4T2Y4H1R9J mol2, pdbqt 403,68 0,34869 198,89 -6,968 572,521 4,3261 11 6 3 -2,6852 7,71428799974481E-02
90479009 52OEC53D5B mol2, pdbqt 222,79 0,17106 44,73 -2,998 312,412 1,9925 4 2 0 1,1059 0,765888443224138
90479014 J6AYA4COFQ mol2, pdbqt 254,7 0,29772 96,3 -1,594 353,413 0,8491 7 2 0 5,7646 0,722550015400297
90479016 664KZK9596 mol2, pdbqt 263,43 0 0 -9,54 706,484 8,3952 0 0 2 -3,9741 2,06077300655551E-02
90479023 MCN6QK3FK3 mol2, pdbqt 210,84 0,1827 55,76 -1,931 312,344 2,4119 5 2 0 -3,8571 0,458652601288802
90479027 L03GZ733P5 mol2, pdbqt 207,54 0 0 -7,038 469,796 6,2196 0 0 1 -3,9741 5,32143258094633E-02
90479028 S070272I1T mol2, pdbqt 109,71 0,15176 23,47 -0,2 117,191 0,1566 2 1 0 4,2732 0,588164687179821
90479029 8ZHM312N8B mol2, pdbqt 989,62 0,046563 52,6 -14,478 1045,71 28,021 4 0 2 -24,894 6,25941754109117E-02
90479030 Q2GAL7LIP2 mol2, pdbqt 207,54 0 0 -7,038 469,796 6,2196 0 0 1 -3,9741 8,31473840772864E-02
90479031 H16S8GE5BY mol2, pdbqt 217,32 0,18291 52,93 -3,111 297,353 2,8582 4 2 0 4,6712 0,84552793958017
90479033 69MID602NR mol2, pdbqt 755,38 0,42617 427,88 -1,78 1000,06 -4,5447 28 14 3 -10,424 8,84886672987665E-02
90479035 0BP5470VQ1 mol2, pdbqt 172,42 0,66442 158,43 -0,101 250,158 -2,5931 9 4 0 -1,2787 0,592073060455847
90479040 2I2598TE2H mol2, pdbqt 218,63 0,18154 49,77 -2,644 299,369 1,8469 4 1 0 5,5787 0,896715573229213
90479041 36HW38MMIN mol2, pdbqt 318,83 0,61399 277,64 -0,589 476,466 -6,6544 15 8 2 -5,3875 0,391954052417293
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Records 53201 to 53220 of 55865
These data are only available for scientific research purposes.